1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole

C8H14N4O — CID 84658567

IUPAC1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole
SMILESCn1nncc1OCC1CCCN1
InChIInChI=1S/C8H14N4O/c1-12-8(5-10-11-12)13-6-7-3-2-4-9-7/h5,7,9H,2-4,6H2,1H3
InChIKeyDWOBYZMBWPBFGS-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.05
Rot. Bonds3

About 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole

1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole (PubChem CID 84658567) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole.

Molecular Properties

Compound Name1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole
PubChem CID84658567
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole
SMILESCn1nncc1OCC1CCCN1
InChIInChI=1S/C8H14N4O/c1-12-8(5-10-11-12)13-6-7-3-2-4-9-7/h5,7,9H,2-4,6H2,1H3
InChIKeyDWOBYZMBWPBFGS-UHFFFAOYSA-N
XLogP-0.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole?
The IUPAC name of 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole (CID 84658567) is 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole.
What is the SMILES notation for 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole?
The canonical SMILES for 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole is Cn1nncc1OCC1CCCN1.
What is the InChIKey of 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole?
The InChIKey is DWOBYZMBWPBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-8(5-10-11-12)13-6-7-3-2-4-9-7/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole?
1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole has a molecular weight of 182.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyrrolidin-2-ylmethoxy)triazole is sourced from PubChem (CID 84658567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).